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CAS No.: | 41078-65-3 |
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Name: | 2-amino-3,4,5,6-tetrahydropyrimidine |
Molecular Structure: | |
Formula: | C4H9N3 |
Molecular Weight: | 99.1356 |
Synonyms: | 1,4,5,6-Tetrahydropyrimidin-2-amine;Tetrahydro-pyrimidin-2-ylideneamine; |
Density: | 1.33 g/cm3 |
Boiling Point: | 196.1 °C at 760 mmHg |
Flash Point: | 72.4 °C |
PSA: | 47.91000 |
LogP: | 0.26140 |
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The 2-Amino-1,4,5,6-tetrahydropyrimidine is an organic compound with the formula C4H9N3. The systematic name of this chemical is 1,4,5,6-Tetrahydropyrimidin-2-amine. With the CAS registry number 41078-65-3, it is also named as Tetrahydro-pyrimidin-2-ylideneamine. Besides, its molecular weight is 99.1344.
The physical properties of 2-Amino-1,4,5,6-tetrahydropyrimidine are: (1)ACD/LogP: -1.32; (2)ACD/LogD (pH 5.5): -3.32; (3)ACD/LogD (pH 7.4): -3.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)Polar Surface Area: 18.84 Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 26.44 cm3; (13)Molar Volume: 74.1 cm3; (14)Polarizability: 10.48×10-24 cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Density: 1.33 g/cm3; (17)Flash Point: 72.4 °C; (18)Enthalpy of Vaporization: 43.23 kJ/mol; (19)Boiling Point: 196.1 °C at 760 mmHg; (20)Vapour Pressure: 0.406 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(/N)NCCC/1
(2)InChI: InChI=1/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
(3)InChIKey: PEHDFSFYZKSKGH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
(5)Std. InChIKey: PEHDFSFYZKSKGH-UHFFFAOYSA-N